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Information card for entry 8105132
Preview
Coordinates | 8105132.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H11 N3 O2 |
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Calculated formula | C15 H11 N3 O2 |
Title of publication | The crystal structure of 2-phenyl-4,6-bis(prop-2-yn-1-yloxy)-1,3,5-triazine, C15H11N3O2 |
Authors of publication | Li, Jin; Chen, Yan; Wu, Ziqing; Liu, Yali; Yin, Dachuan; Zuo, Zhenyu |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2020 |
Journal volume | 235 |
Journal issue | 2 |
Pages of publication | 433 - 435 |
a | 8.468 ± 0.0005 Å |
b | 9.7578 ± 0.0005 Å |
c | 10.2101 ± 0.0006 Å |
α | 104.578 ± 0.005° |
β | 111.882 ± 0.006° |
γ | 106.589 ± 0.005° |
Cell volume | 686.77 ± 0.09 Å3 |
Cell temperature | 250 ± 2 K |
Ambient diffraction temperature | 250.15 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0474 |
Residual factor for significantly intense reflections | 0.0394 |
Weighted residual factors for significantly intense reflections | 0.1144 |
Weighted residual factors for all reflections included in the refinement | 0.1261 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/8105132.html
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Users of the data should acknowledge the original authors of the
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